Sugi Predict

Sugi Predict / Compounds / SCHEMBL3055810

SCHEMBL3055810

SCHEMBL3055810

CCS(=O)(=O)N1CCCN(c2nc(Cc3ccc(Oc4ccc(C)cc4)cc3)ns2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.49
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ PKM P14618 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3064073 0.94 CNR1 (0.46) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3051317 0.93 CNR1 (0.45) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3066927 0.92 CNR1 (0.49) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3056411 0.92 CNR1 (0.46) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3068666 0.91 CNR1 (0.44) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3068431 0.91 CNR1 (0.44) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3054660 0.91 CNR1 (0.44) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3049586 0.91 CNR1 (0.44) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3063151 0.91 CNR1 (0.47) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL3056425 0.90 CNR1 (0.44) CNR1MAPK1LMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 — — US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 — — US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 — — US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885MAPK1 1449/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885MAPK1 1449/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885MAPK1 1449/4885LMNA 1113/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.